acompound

Showing entry for n.a

General Compound Information
BXGC Id	BXGC0045132
Compound Name	n.a
Structure
Formula	C36H56O8
InchiKey	PHEDXBVPIONUQT-AFPOFPRFSA-N
SMILES	CCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](C)[C@@]2(O)[C@H](C3[C@]1(OC(=O)C)C3(C)C)C=C(C[C@@]1([C@H]2C=C(C1=O)C)O)CO
Inchi	InChI=1S/C36H56O8/c1-7-8-9-10-11-12-13-14-15-16-17-18-29(39)43-32-24(3)35(42)27(30-33(5,6)36(30,32)44-25(4)38)20-26(22-37)21-34(41)28(35)19-23(2)31(34)40/h19-20,24,27-28,30,32,37,41-42H,7-18,21-22H2,1-6H3/t24-,27+,28-,30?,32-,34+,35-,36-/m1/s1
IUPAC
Molecular Weight	616.4
Pubchem Id
Chembl Id	CHEMBL2373592

Targets of Information Source

DrugBank

n.a

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Groups	Target Type
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Groups	Target Type

PDB

n.a

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	Ka M-1
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	Ka M-1

Binding DB

n.a

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	EC50 nM
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	EC50 nM

CHEMBL

CHEMBL2373592

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	width="10%">Type	Relation	value	Units
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Type	Relation	value	Units
O15118	BXGT004127	NPC intracellular cholesterol transporter 1	reviewed	Transporter	NPC1	Potency	'='	58047	nM
P42345	BXGT010304	Serine/threonine-protein kinase mTOR	reviewed	Kinase	MTOR	Potency	'='	23280	nM
P35456	BXGT009834	Urokinase plasminogen activator surface receptor	reviewed	-	Plaur	Potency	-	92	nM
P20918	BXGT008615	Plasminogen	reviewed	-	Plg	Potency	-	92	nM
P06869	BXGT006517	Urokinase-type plasminogen activator	reviewed	-	Plau	Potency	-	92	nM
Q96QE3	BXGT019718	ATPase family AAA domain-containing protein 5	reviewed	-	ATAD5	Potency	-	4	nM
O89049	BXGT005293	Thioredoxin reductase 1, cytoplasmic	reviewed	-	Txnrd1	Potency	-	5972	nM
P51151	BXGT010837	Ras-related protein Rab-9A	reviewed	-	RAB9A	Potency	'='	63095	nM
O89049	BXGT005293	Thioredoxin reductase 1, cytoplasmic	reviewed	-	Txnrd1	Potency	-	22387	nM
P49798	BXGT010745	Regulator of G-protein signaling 4	reviewed	Enzyme modulator	RGS4	Potency	-	15003	nM
O42275	BXGT004559	Acetylcholinesterase	reviewed	-	ache	Inhibition	'='	12	%
Q99700	BXGT019949	Ataxin-2	reviewed	Nucleic acid binding	ATXN2	Potency	-	2238	nM
P42345	BXGT010304	Serine/threonine-protein kinase mTOR	reviewed	Kinase	MTOR	Potency	'='	26121	nM
P11021	BXGT007644	Endoplasmic reticulum chaperone BiP	reviewed	-	HSPA5	Potency	-	36897	nM
O00167	BXGT003887	Eyes absent homolog 2	reviewed	-	EYA2	Potency	-	100000	nM
O15648	BXGT004185	ATP-dependent 6-phosphofructokinase	reviewed	-	pfk	Potency	-	756	nM
Q9UBT6	BXGT021664	DNA polymerase kappa	reviewed	-	POLK	Potency	-	26679	nM
P81908	BXGT011959	Cholinesterase	reviewed	-	BCHE	Inhibition	'='	0	%
O94782	BXGT005332	Ubiquitin carboxyl-terminal hydrolase 1	reviewed	Enzyme	USP1	Potency	-	35481	nM
P83916	BXGT012025	Chromobox protein homolog 1	reviewed	Epigenetic regulator	CBX1	Potency	-	1191	nM
Q96KQ7	BXGT019687	Histone-lysine N-methyltransferase EHMT2	reviewed	Epigenetic regulator	EHMT2	Potency	-	7943	nM
Q96QE3	BXGT019718	ATPase family AAA domain-containing protein 5	reviewed	-	ATAD5	Potency	-	4	nM
P21728	BXGT008686	D(1A) dopamine receptor	reviewed	G-protein coupled receptor	DRD1	Potency	-	231	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF02883	Trigonostemon howii	Trigonostemon howii	Others

The compound-realted diseases

Diseases

BXGD Id	Disease Name	CUI Disease Id	Disease Class Name	Number of targets^{?Number of targets related to compound connecting disease, higher numbers indicate the compound is more associated with the disease}